Geometry & MOs

Info

ID:	277224
PubChem CID:	103827349
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	47.79
Dipole, Da:	3.38
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethylphenyl)methylamino]butanenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC2=CC(=CN=C2)Br

DOS

IR

Vibrations