Geometry & MOs

Info

ID:	285312
PubChem CID:	104099015
Reduced:	N3C5H8 (2)
Stoich.:	A3B5C8 (2)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	92.25
Dipole, Da:	6.25
IP(EA), eV:	-9.35(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylcyclohexyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCCN2C=CN=N2

DOS

IR

Vibrations