Geometry & MOs

Info

ID:	270128
PubChem CID:	103629576
Reduced:	SN2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	21.82
Dipole, Da:	1.12
IP(EA), eV:	-9.06(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-ethylphenyl)methanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC2=CSC(=N2)C(C)(C)C

DOS

IR

Vibrations