Geometry & MOs

Info

ID:	178927
PubChem CID:	76402700
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	10.61
IP(EA), eV:	-8.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(NC(=C2C=CC=CC2=O)N1)N3CCC4(CCC(=O)NCC4)CC3

DOS

IR

Vibrations