Geometry & MOs

Info

ID:	447149
PubChem CID:	135280697
Reduced:	N2C7H16 (1)
Stoich.:	A2B7C16 (1)
Weight, g/mol:	506.183316
ΔH_f, kcal/mol:	23.0
Dipole, Da:	0.34
IP(EA), eV:	-8.13(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-5-methoxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CNN(C)CCC1CC1

DOS

IR

Vibrations