Geometry & MOs

Info

ID:	425791
PubChem CID:	135128038
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	480.135304
ΔH_f, kcal/mol:	24.49
Dipole, Da:	3.59
IP(EA), eV:	-8.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[7-(3-methoxyphenyl)-2-pyridin-3-yl-5H-cyclohepta[d]pyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1CC=C(C=N1)C2=NC3=C(C=C(C=C3)C4=C(C=CC(=C4)OC)OC)C(=N2)NC

DOS

IR

Vibrations