Geometry & MOs

Info

ID:	126776
PubChem CID:	50977963
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	2.61
IP(EA), eV:	-9.5(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-(cyclopropanecarbonyl)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C(C)(C)C(=O)N1CCN2C(C1)C(=O)NCC2=O

DOS

IR

Vibrations