Geometry & MOs

Info

ID:	421152
PubChem CID:	135115476
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	9.18
IP(EA), eV:	-9.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations