Geometry & MOs

Info

ID:	365517
PubChem CID:	127317944
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	268.226312
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	5.17
IP(EA), eV:	-8.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N2CCN(CC2)C3=NC(=CC(=N3)OCC)C

DOS

IR

Vibrations