Geometry & MOs

Info

ID:	195849
PubChem CID:	78743197
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	431.257277
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	4.72
IP(EA), eV:	-8.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(4-methylphenyl)-phenylmethyl]-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C=CC3=CC=CC=C3OC

DOS

IR

Vibrations