Geometry & MOs

Info

ID:	249894
PubChem CID:	103092716
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	229.069198
ΔH_f, kcal/mol:	-54.47
Dipole, Da:	2.84
IP(EA), eV:	-8.92(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-chlorothiophen-2-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1CCCO1

DOS

IR

Vibrations