Geometry & MOs

Info

ID:	190592
PubChem CID:	78025236
Reduced:	SCl2N2O4C22H26 (1)
Stoich.:	AB2C2D4E22F26 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	6.19
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methylideneamino]-6-(2-methoxyphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1CC=C(C=C1)SCC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations