Geometry & MOs

Info

ID:	380081
PubChem CID:	134964903
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	265.146664
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	3.31
IP(EA), eV:	-9.77(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2R)-4-(4-methylphenyl)but-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C[C@H](C1(CC1)C2=CC=CC=C2)O

DOS

IR

Vibrations