Geometry & MOs

Info

ID:	401624
PubChem CID:	135051857
Reduced:	N2O5H14C18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	207.083019
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	5.89
IP(EA), eV:	-9.88(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)-3-phenylpropanethioamide

Drug info:

PubChemData

Smile

CC1=N/C(=C/C2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-])/C(=O)O1

DOS

IR

Vibrations