Geometry & MOs

Info

ID:	420489
PubChem CID:	135113433
Reduced:	O5N7C25H31 (1)
Stoich.:	A5B7C25D31 (1)
Weight, g/mol:	371.111735
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	10.29
IP(EA), eV:	-8.84(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CNN=C4

DOS

IR

Vibrations