Geometry & MOs

Info

ID:	368775
PubChem CID:	127330094
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	2.68
IP(EA), eV:	-8.87(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-7-phenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)COCC3CCOC3

DOS

IR

Vibrations