Geometry & MOs

Info

ID:	17566
PubChem CID:	505060
Reduced:	O3N4C30H30 (1)
Stoich.:	A3B4C30D30 (1)
Weight, g/mol:	494.231791
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	2.07
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-N-[3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]phenyl]propanimidate

Drug info:

PubChemData

Smile

CC(C)(C)C(=NC1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)OC

DOS

IR

Vibrations