Geometry & MOs

Info

ID:	368776
PubChem CID:	127330095
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	1.39
IP(EA), eV:	-8.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(oxolan-3-ylmethoxy)acetyl]-7-phenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1CC(=O)N3CCNC(=O)CC3C4=CC=CC=C4

DOS

IR

Vibrations