Geometry & MOs

Info

ID:	312821
PubChem CID:	126608915
Reduced:	IN2C10H23 (1)
Stoich.:	AB2C10D23 (1)
Weight, g/mol:	393.187484
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	2.22
IP(EA), eV:	-8.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-isocyanatophenyl)-2-methyl-3-[4-(3-methylhept-1-en-3-yl)thiophen-3-yl]-2H-imidazole

Drug info:

PubChemData

Smile

CC(C(C)(C)N(C)I)NC(C)(C)C

DOS

IR

Vibrations