Geometry & MOs

Info

ID:	365167
PubChem CID:	127316971
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	7.27
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCO4)C(C)(C)C

DOS

IR

Vibrations