Geometry & MOs

Info

ID:	70978
PubChem CID:	48414135
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	5.12
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations