Geometry & MOs

Info

ID:	330447
PubChem CID:	127247851
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	312.179755
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	7.78
IP(EA), eV:	-9.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCN(CC(C2)C(=O)N)C(=O)C

DOS

IR

Vibrations