Geometry & MOs

Info

ID:	296391
PubChem CID:	117571750
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	186.173213
ΔH_f, kcal/mol:	86.42
Dipole, Da:	2.14
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(aminomethyl)cyclobutyl]methyl]-3-methoxypropan-1-amine

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=CC=CC(=C2)C#N)C#N

DOS

IR

Vibrations