Geometry & MOs

Info

ID:	324830
PubChem CID:	126678425
Reduced:	BrN2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	12.93
Dipole, Da:	2.65
IP(EA), eV:	-7.74(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(aminomethyl)phenyl]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC)Br)NC

DOS

IR

Vibrations