Geometry & MOs

Info

ID:	163397
PubChem CID:	57929659
Reduced:	N2O3C31H44 (1)
Stoich.:	A2B3C31D44 (1)
Weight, g/mol:	127.074562
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	5.11
IP(EA), eV:	-9.06(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CC(=O)NC2(CCCCC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations