Geometry & MOs

Info

ID:	226461
PubChem CID:	87457424
Reduced:	ClFO2N8C29H32 (2)
Stoich.:	ABC2D8E29F32 (2)
Weight, g/mol:	204.147393
ΔH_f, kcal/mol:	-8.12
Dipole, Da:	10.33
IP(EA), eV:	-8.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-[2-(dimethylamino)ethoxy]propanoic acid

Drug info:

Smile

CNC(=O)C1=C(C(=CC(=C1)C2=CN(N=C2)C)F)NC3=NC(=NC=C3Cl)NC4=CC5=C(CCN(CC5)CCOC)C=C4.CNC(=O)C1=C(C(=CC(=C1)C2=CN(N=C2)C)F)NC3=NC(=NC=C3Cl)NC4=CC5=C(CCN(CC5)CCOC)C=C4

DOS

IR

Vibrations