Geometry & MOs

Info

ID:	189196
PubChem CID:	77825748
Reduced:	BrN3O4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	1.84
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxyphenyl)-4-[3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-2-yl]diazinan-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCC(CC2)CNC(=O)C(C(C(=O)N3CC4=CC=CC=C4C3)O)O)Br

DOS

IR

Vibrations