Geometry & MOs

Info

ID:	404334
PubChem CID:	135065903
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	472.118985
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	2.57
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methyl-2-(1-phenylimidazole-2-carbonyl)-3,4-dihydrochromen-6-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CO1)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations