Geometry & MOs

Info

ID:	186878
PubChem CID:	77500405
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	9.92
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-hydroxybenzoyl)amino]-N-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CC2C(C1)NNC2NC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations