Geometry & MOs

Info

ID:	390663
PubChem CID:	135000221
Reduced:	BBrO2C18H32 (1)
Stoich.:	ABC2D18E32 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	2.4
IP(EA), eV:	-8.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(4-methoxyanilino)-4-phenylbut-3-ynamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=CCCBr)C(=C)CCCCCC

DOS

IR

Vibrations