Geometry & MOs

Info

ID:	174675
PubChem CID:	75806017
Reduced:	O2N4C17H25 (1)
Stoich.:	A2B4C17D25 (1)
Weight, g/mol:	481.05114
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769239
Charge, e:	-1

Chem-info

IUPAC name:

7-(4-bromophenyl)-3-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC(=NC=C2)N3CCC(CC3)C(=O)[O-]

DOS

IR

Vibrations