Geometry & MOs

Info

ID:	224602
PubChem CID:	85345270
Reduced:	OC20H24 (1)
Stoich.:	AB20C24 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	96.7
Dipole, Da:	3.01
IP(EA), eV:	-8.91(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-methylanilino)methyl]-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C23CC4=CC=CC=C4C3)OC#C)C)C

DOS

IR

Vibrations