Geometry & MOs

Info

ID:	73390
PubChem CID:	48417591
Reduced:	O3N6H16C17 (1)
Stoich.:	A3B6C16D17 (1)
Weight, g/mol:	373.01744
ΔH_f, kcal/mol:	31.97
Dipole, Da:	4.75
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations