Geometry & MOs

Info

ID:	160776
PubChem CID:	57389743
Reduced:	O3N6C29H30 (1)
Stoich.:	A3B6C29D30 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	8.51
Dipole, Da:	1.98
IP(EA), eV:	-8.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C5=NC(=NC6=CC(=C(C=C65)OC)OC)C

DOS

IR

Vibrations