Geometry & MOs

Info

ID:	140655
PubChem CID:	52737620
Reduced:	ClO2N3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-112.6
Dipole, Da:	2.01
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(C)(C)CNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations