Geometry & MOs

Info

ID:	32115
PubChem CID:	4266115
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	5.3
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-N'-[(4-prop-2-ynoxyphenyl)methylideneamino]propanediamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C2=C(N(C3=CC=CC=C32)C)C)N4CCC4=O

DOS

IR

Vibrations