Geometry & MOs

Info

ID:	143441
PubChem CID:	53209432
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	424.226312
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	5.75
IP(EA), eV:	-7.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,5-dimethylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC(C)C)C)C3=CC=CC(=C3)C

DOS

IR

Vibrations