Geometry & MOs

Info

ID:	160081
PubChem CID:	57304662
Reduced:	N4O4C27H34 (1)
Stoich.:	A4B4C27D34 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-145.63
Dipole, Da:	3.43
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-N-prop-2-enoxyethenamine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(C2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=N4)O

DOS

IR

Vibrations