Geometry & MOs

Info

ID:	199424
PubChem CID:	79244939
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	9.36
Dipole, Da:	3.39
IP(EA), eV:	-8.6(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=C1)CN2CCCC2C

DOS

IR

Vibrations