Geometry & MOs

Info

ID:	162719
PubChem CID:	57551580
Reduced:	O2N4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	669.29088
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	6.28
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(oxan-4-ylamino)-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C2=C(N=C(N12)C)C(=O)O)N

DOS

IR

Vibrations