Geometry & MOs

Info

ID:	367195
PubChem CID:	127323963
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	3.37
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC(C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations