Geometry & MOs

Info

ID:	256311
PubChem CID:	103138375
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	35.18
Dipole, Da:	2.11
IP(EA), eV:	-8.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1CCCCCN1C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations