Geometry & MOs

Info

ID:	425760
PubChem CID:	135127883
Reduced:	O2N5H29C32 (1)
Stoich.:	A2B5C29D32 (1)
Weight, g/mol:	485.24269
ΔH_f, kcal/mol:	75.89
Dipole, Da:	6.78
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-6-methoxy-4-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]butanal

Drug info:

PubChemData

Smile

COC1=CCC2=C(C=C1)N=C(N=C2NC3=CC=CC=C3C(=O)NC4CC5=C(C4)C=CC=CC5)C6=CN=CC=C6

DOS

IR

Vibrations