Geometry & MOs

Info

ID:	17565
PubChem CID:	505059
Reduced:	O3N4C30H30 (1)
Stoich.:	A3B4C30D30 (1)
Weight, g/mol:	494.231791
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	7.24
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-N-[3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N(C)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4

DOS

IR

Vibrations