Geometry & MOs

Info

ID:	179812
PubChem CID:	76534657
Reduced:	NOC24H31 (1)
Stoich.:	ABC24D31 (1)
Weight, g/mol:	211.112777
ΔH_f, kcal/mol:	-36.12
Dipole, Da:	5.1
IP(EA), eV:	-9.21(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-phenylbut-2-en-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC12CCC3C(C1C=C(C2)C4=CN=CC=C4)CC=C5C3(CCC(C5)O)C

DOS

IR

Vibrations