Geometry & MOs

Info

ID:	247634
PubChem CID:	103072491
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	245.113982
ΔH_f, kcal/mol:	19.46
Dipole, Da:	5.79
IP(EA), eV:	-8.96(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCCC1=NC=CN1CC(=C)CNCCC

DOS

IR

Vibrations