Geometry & MOs

Info

ID:	291730
PubChem CID:	113460862
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	42.41
Dipole, Da:	1.58
IP(EA), eV:	-9.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)pentan-3-yl]-3-bromo-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(CC2=CC=CC=N2)NC

DOS

IR

Vibrations