Geometry & MOs

Info

ID:	122729
PubChem CID:	50819185
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	448.208611
ΔH_f, kcal/mol:	82.71
Dipole, Da:	4.17
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,5-dimethylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NCC3=CC(=CC=C3)Cl)N4C=CC=C4

DOS

IR

Vibrations