Geometry & MOs

Info

ID:	71076
PubChem CID:	48414255
Reduced:	BrO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-34.71
Dipole, Da:	5.18
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCC3=C(NN=C3)C)Br

DOS

IR

Vibrations