Geometry & MOs

Info

ID:	197516
PubChem CID:	78974244
Reduced:	NOF2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	270.209599
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	3.27
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)CCN(CC(=O)C1=C(C=CC=C1F)F)C2CC2

DOS

IR

Vibrations