Geometry & MOs

Info

ID:	365422
PubChem CID:	127317821
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	296.257612
ΔH_f, kcal/mol:	-115.91
Dipole, Da:	5.09
IP(EA), eV:	-9.14(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)NCC2CN(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations