Geometry & MOs

Info

ID:	367370
PubChem CID:	127324322
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	2.07
IP(EA), eV:	-9.11(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NCC3(CCOC3)C)C

DOS

IR

Vibrations