Geometry & MOs

Info

ID:	194528
PubChem CID:	78549511
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	4.69
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-ylmethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations