Geometry & MOs

Info

ID:	245807
PubChem CID:	103024013
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	4.24
IP(EA), eV:	-9.43(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)CC2(CCC2)CN

DOS

IR

Vibrations