Geometry & MOs

Info

ID:	122701
PubChem CID:	50817727
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	7.46
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[N-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(=NCC2=CN=CC=C2)NC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations