Geometry & MOs

Info

ID:	255736
PubChem CID:	103134350
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	4.69
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations