Geometry & MOs

Info

ID:	367297
PubChem CID:	127324076
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	2.18
IP(EA), eV:	-8.78(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations