Geometry & MOs

Info

ID:	249703
PubChem CID:	103091448
Reduced:	NSC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	12.65
Dipole, Da:	2.13
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)/C=C/C(C)N

DOS

IR

Vibrations