Geometry & MOs

Info

ID:	275310
PubChem CID:	103815082
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	194.153147
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	6.87
IP(EA), eV:	-9.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)N2CCNCC2

DOS

IR

Vibrations