Geometry & MOs

Info

ID:	314307
PubChem CID:	126621254
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	204.147393
ΔH_f, kcal/mol:	-13.91
Dipole, Da:	4.46
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-(aminomethylamino)ethoxy]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CN=C(C=C2)C3=NC=C(N3)C4=CC=C(C=C4)OC)OCC(C)(C)C=O

DOS

IR

Vibrations