Geometry & MOs

Info

ID:	283116
PubChem CID:	103959092
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-29.03
Dipole, Da:	3.43
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1N(C)C2CCOC2)N

DOS

IR

Vibrations