Geometry & MOs

Info

ID:	337463
PubChem CID:	127257148
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	378.098249
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	8.38
IP(EA), eV:	-8.63(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2-phenylbenzene;perchloric acid;1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(NC(=CC1=O)C/C=C(\C)/CCC=C(C)C)C

DOS

IR

Vibrations