Geometry & MOs

Info

ID:	148811
PubChem CID:	53788480
Reduced:	O2S2N3C20H26 (1)
Stoich.:	A2B2C3D20E26 (1)
Weight, g/mol:	381.108476
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	2.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.040609
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-N,N,2-trimethylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(C1=[N+](C=CC(=C1C)OCCCOC)C2=NC3=CC=CC=C3N2)(S)S

DOS

IR

Vibrations