Geometry & MOs

Info

ID:	174825
PubChem CID:	75820030
Reduced:	SN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	314.186852
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	11.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.070241
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)carbamoylamino]-2-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCCC2C3=CSC=C3)[N+](=O)[O-]

DOS

IR

Vibrations