Geometry & MOs

Info

ID:	192524
PubChem CID:	78279951
Reduced:	N2O2C18H29 (1)
Stoich.:	A2B2C18D29 (1)
Weight, g/mol:	310.155552
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756010
Charge, e:	1

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-2-oxoethyl]-[1-(2-methoxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCCCCCC2

DOS

IR

Vibrations