Geometry & MOs

Info

ID:	312589
PubChem CID:	126606638
Reduced:	PO3N9C37H38 (1)
Stoich.:	AB3C9D37E38 (1)
Weight, g/mol:	254.167065
ΔH_f, kcal/mol:	65.67
Dipole, Da:	9.94
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethylcyclohepta-1,4,6-trien-1-yl)-(2,3-dimethylphenyl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)/C(=C/C(=N\C(=O)NC1=CC=C(C2=CC=CC=C21)OC3=NC(=NC=C3)NC4=CC5=C(C=C4)ON=C5N)/NC6=CC(=CC=C6)P(C)C)/N

DOS

IR

Vibrations