Geometry & MOs

Info

ID:	89804
PubChem CID:	49964743
Reduced:	BrN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	457.06372
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	6.18
IP(EA), eV:	-9.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-(2,2-dimethoxyethyl)-4-(3-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC1=C2C(N(C(=O)C2=NN1)CC(OC)OC)C3=CC=C(C=C3)Br

DOS

IR

Vibrations