Geometry & MOs

Info

ID:	362934
PubChem CID:	127309870
Reduced:	O2N5C18H35 (1)
Stoich.:	A2B5C18D35 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-122.58
Dipole, Da:	2.15
IP(EA), eV:	-8.76(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1CCCN(C1)C(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations