Geometry & MOs

Info

ID:	407149
PubChem CID:	135079430
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-11.38
Dipole, Da:	3.04
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(Z)-but-2-enyl]but-2-ynamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)C[C@H](CO)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations