Geometry & MOs

Info

ID:	131802
PubChem CID:	51262858
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	5.43
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C)C(=O)C3=CC=CC=C3SCC(=O)N(C)C

DOS

IR

Vibrations