Geometry & MOs

Info

ID:	308318
PubChem CID:	125326118
Reduced:	O3N6H20C21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	469.1001
ΔH_f, kcal/mol:	37.87
Dipole, Da:	4.77
IP(EA), eV:	-9.39(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(4-bromophenyl)-3-(2-hydroxyphenyl)-5-(3-propan-2-yloxypropyl)-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)N2C(=CC(=N2)C)NC(=O)C(=O)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations