Geometry & MOs

Info

ID:	365535
PubChem CID:	127317983
Reduced:	FO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	4.36
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-N-(oxan-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=CN=C(C=C3)OC4=CC(=CC=C4)F

DOS

IR

Vibrations