Geometry & MOs

Info

ID:	149119
PubChem CID:	53788791
Reduced:	C7H9 (2)
Stoich.:	A7B9 (2)
Weight, g/mol:	624.293929
ΔH_f, kcal/mol:	43.42
Dipole, Da:	0.9
IP(EA), eV:	-9.19(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-[3-(2-chloro-3,5-dimethoxyphenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-yl]urea

Drug info:

PubChemData

Smile

CC(C)CC1=CC=CC=C1CCC#C

DOS

IR

Vibrations