Geometry & MOs

Info

ID:	175449
PubChem CID:	75907088
Reduced:	ON5C20H28 (1)
Stoich.:	AB5C20D28 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	46.75
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003093
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoylamino]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1)C[NH2+]CC2CNNC2C3=CN=CC=C3

DOS

IR

Vibrations