Geometry & MOs

Info

ID:	272719
PubChem CID:	103752979
Reduced:	Br2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	64.54
Dipole, Da:	3.58
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=CC(=C(C=C2)Br)Br

DOS

IR

Vibrations