Geometry & MOs

Info

ID:	124037
PubChem CID:	50870388
Reduced:	NS2O4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	507.214951
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	2.91
IP(EA), eV:	-8.64(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC=C)OC

DOS

IR

Vibrations