Geometry & MOs

Info

ID:	249631
PubChem CID:	103090984
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	3.61
IP(EA), eV:	-9.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-(3-propan-2-ylimidazol-4-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)/C=C(/C)\C(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations