Geometry & MOs

Info

ID:	190078
PubChem CID:	77950686
Reduced:	O3N6C36H46 (1)
Stoich.:	A3B6C36D46 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	8.46
IP(EA), eV:	-8.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-1-phenylethyl] 3-amino-2-ethyl-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC)C(=O)NC2CC3CCCN(C3C2)C4=NC=C(C=C4)C(=O)NC(C)C5=CC=C(C=C5)N6CCN(CC6)C

DOS

IR

Vibrations