Geometry & MOs

Info

ID:	299190
PubChem CID:	117676812
Reduced:	N3C17H27 (1)
Stoich.:	A3B17C27 (1)
Weight, g/mol:	552.284889
ΔH_f, kcal/mol:	20.19
Dipole, Da:	3.14
IP(EA), eV:	-8.04(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-2-(4-phenoxyphenyl)-7-[1-(4-pyrrolidin-1-ylbut-2-ynoyl)piperidin-4-yl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCCN1CCN2C(C1)CC3=CC=CC=C32

DOS

IR

Vibrations