Geometry & MOs

Info

ID:	413003
PubChem CID:	135085947
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	247.112777
ΔH_f, kcal/mol:	-100.22
Dipole, Da:	1.63
IP(EA), eV:	-9.22(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-benzyl-N-but-2-ynyl-4-chlorobut-2-en-1-amine

Drug info:

PubChemData

Smile

CC(=O)NC(=C)C(=O)NCC1=CC=C(C=C1)O

DOS

IR

Vibrations