Geometry & MOs

Info

ID:	267339
PubChem CID:	103581895
Reduced:	BrN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	49.9
Dipole, Da:	4.93
IP(EA), eV:	-8.28(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-2-methyloxan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=C(N(C(=C2)C#N)C)C

DOS

IR

Vibrations