Geometry & MOs

Info

ID:	405329
PubChem CID:	135073488
Reduced:	OC18H26 (1)
Stoich.:	AB18C26 (1)
Weight, g/mol:	224.069811
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	1.75
IP(EA), eV:	-9.1(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyanopyrimidin-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC/C=C(\C)/CC[C@H]2C(O2)(C)C

DOS

IR

Vibrations