Geometry & MOs

Info

ID:	447139
PubChem CID:	135280617
Reduced:	N4C7H13 (2)
Stoich.:	A4B7C13 (2)
Weight, g/mol:	493.224453
ΔH_f, kcal/mol:	91.91
Dipole, Da:	2.44
IP(EA), eV:	-10.17(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[[5-chloro-4-[(E)-1-phenylprop-1-enyl]pyrimidin-2-yl]amino]-5-methoxyphenyl]methyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)N1N=C(N=N1)C(C)CC(C)(C)C2=NN(N=N2)C(C)C

DOS

IR

Vibrations