Geometry & MOs

Info

ID:	231536
PubChem CID:	87574066
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	188.043321
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	6.47
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carbonoperoxoyl-4,5-dihydroimidazol-1-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC1=CC2=C(C=C1)C=NN2CCCOC)CC(C3CO3)NC(=O)O

DOS

IR

Vibrations