Geometry & MOs

Info

ID:	367300
PubChem CID:	127324079
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	3.62
IP(EA), eV:	-9.52(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclopropyl)methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3CC3C

DOS

IR

Vibrations