Geometry & MOs

Info

ID:	186873
PubChem CID:	77499155
Reduced:	FO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	401.253923
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	3.84
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(ethylcarbamoylamino)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-2-(4-pyrrolidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC1O)C(C2CNNC2C3=CC=CO3)C4=CC=C(C=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations