Geometry & MOs

Info

ID:	315639
PubChem CID:	126628294
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	-6.24
Dipole, Da:	8.76
IP(EA), eV:	-8.17(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methoxycyclohexyl)-5-methyl-2-[2-methyl-5-(5-prop-1-ynylpyridin-3-yl)phenyl]imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(C2=CC3=CC=CC=C3C(=NNC4=CC=CC=C4O)C2=O)O

DOS

IR

Vibrations