Geometry & MOs

Info

ID:	126568
PubChem CID:	50968246
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	7.73
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3aR,6aR)-5-(cyclopropanecarbonyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C)C3=C(C=C(C=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations