Geometry & MOs

Info

ID:	255236
PubChem CID:	103130827
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	47.33
Dipole, Da:	2.6
IP(EA), eV:	-8.92(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(4-phenyloxan-4-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2(CCCCC2)C3=CC=CC=C3)N

DOS

IR

Vibrations