Geometry & MOs

Info

ID:	285236
PubChem CID:	104098757
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	294.04801
ΔH_f, kcal/mol:	20.92
Dipole, Da:	4.79
IP(EA), eV:	-9.4(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)C1CCCC(CC1)NCCN2C=CN=N2

DOS

IR

Vibrations