Geometry & MOs

Info

ID:	332105
PubChem CID:	127250391
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	4.24
IP(EA), eV:	-9.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations