Geometry & MOs

Info

ID:	315042
PubChem CID:	126624261
Reduced:	O3N7C24H29 (1)
Stoich.:	A3B7C24D29 (1)
Weight, g/mol:	516.248504
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	8.29
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-amino-6-(4-phenoxyphenoxy)pyrimidine-5-carboximidoyl]-N-[(3R)-1-propanoylpiperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=C3C(=NC=C2)NN=C3N[C@@H]4CCN(C4)C(=O)/C=C/CN(C)C)C(=O)N

DOS

IR

Vibrations