Geometry & MOs

Info

ID:	141973
PubChem CID:	52960335
Reduced:	FSN2O3H13C19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	423.274659
ΔH_f, kcal/mol:	-45.63
Dipole, Da:	8.35
IP(EA), eV:	-9.17(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)N=C3N=C4C=CC(=CC4S3)F)C

DOS

IR

Vibrations