Geometry & MOs

Info

ID:	148488
PubChem CID:	53788150
Reduced:	ON4C25H30 (1)
Stoich.:	AB4C25D30 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	6.89
Dipole, Da:	3.48
IP(EA), eV:	-8.95(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[5-(4-isocyanophenoxy)imidazol-1-yl]methyl]-2-methylphenyl]-3-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(C(=O)C1)C2=C(C=C(C=C2)CN3C=NC=C3C(C4=CC=C(C=C4)C)N)C

DOS

IR

Vibrations