Geometry & MOs

Info

ID:	254167
PubChem CID:	103123215
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	55.86
Dipole, Da:	2.93
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1(CN)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations