Geometry & MOs

Info

ID:	362935
PubChem CID:	127309941
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-161.84
Dipole, Da:	5.03
IP(EA), eV:	-9.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1OCC2=CC=CC(=C2)CNC(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations