Geometry & MOs

Info

ID:	288004
PubChem CID:	104306736
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	305.165876
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	3.85
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-chloropropyl)aniline

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C1)N(C=C2)C3=CC=C(C=C3)CO)N)C

DOS

IR

Vibrations