Geometry & MOs

Info

ID:	207478
PubChem CID:	80402356
Reduced:	NC19H27 (1)
Stoich.:	AB19C27 (1)
Weight, g/mol:	273.220498
ΔH_f, kcal/mol:	27.78
Dipole, Da:	2.11
IP(EA), eV:	-8.97(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-cyclohexyl-3-(1,5-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C(/CNC2CC2)\C3CCCCC3

DOS

IR

Vibrations