Geometry & MOs

Info

ID:	353487
PubChem CID:	127285046
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	5.31
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(S1)C(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations