Geometry & MOs

Info

ID:	181290
PubChem CID:	76728039
Reduced:	OS2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	4.98
IP(EA), eV:	-8.7(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enimidoyl]-4-pyrimidin-5-ylaniline

Drug info:

PubChemData

Smile

CC(=CCCC(=CCC1(SCCCS1)CCC=O)C)C

DOS

IR

Vibrations