Geometry & MOs

Info

ID:	247521
PubChem CID:	103072057
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	19.29
Dipole, Da:	1.35
IP(EA), eV:	-8.77(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=C(C(=N1)C)C)C

DOS

IR

Vibrations