Geometry & MOs

Info

ID:	49890
PubChem CID:	11534148
Reduced:	ON2C18H18 (2)
Stoich.:	AB2C18D18 (2)
Weight, g/mol:	557.267842
ΔH_f, kcal/mol:	48.44
Dipole, Da:	3.3
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NC(=NC=C5C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations