Geometry & MOs

Info

ID:	439129
PubChem CID:	135228894
Reduced:	NOC14H17 (2)
Stoich.:	ABC14D17 (2)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-10.09
Dipole, Da:	4.1
IP(EA), eV:	-7.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(Z)-3-(5-methylimidazol-1-yl)-3-(2-methylphenyl)-1-nitrosoprop-2-enyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/C=C)/N=CCC1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=O)C)C(C)(C)C)OC

DOS

IR

Vibrations