Geometry & MOs

Info

ID:	402153
PubChem CID:	135054673
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-5.7
Dipole, Da:	4.6
IP(EA), eV:	-8.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-methoxyanilino)-4-(4-pentylphenyl)but-3-ynoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(C2)CN(C3=O)CC=C

DOS

IR

Vibrations