Geometry & MOs

Info

ID:	292675
PubChem CID:	117356851
Reduced:	BrNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	241.04661
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	2.88
IP(EA), eV:	-9.02(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-3-methylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)/C=C/CN)Br)O

DOS

IR

Vibrations