Geometry & MOs

Info

ID:	154724
PubChem CID:	56314238
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	382.198046
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	4.92
IP(EA), eV:	-8.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(dimethylamino)phenyl]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations