Geometry & MOs

Info

ID:	286129
PubChem CID:	104153274
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	288.231397
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	0.88
IP(EA), eV:	-8.06(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-dimethylpiperazin-1-yl)-6-ethylpyridin-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CNCC)N2CCCC2(C)C

DOS

IR

Vibrations