Geometry & MOs

Info

ID:	137423
PubChem CID:	52206812
Reduced:	FON2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	415.14063
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	2.76
IP(EA), eV:	-8.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(7S)-3-[(2-methoxyphenyl)carbamoyl]-7-[(E)-2-phenylethenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC4=C([C@H]3C5=CC(=C(C=C5)F)F)C(=O)CC(C4)(C)C

DOS

IR

Vibrations