Geometry & MOs

Info

ID:	363140
PubChem CID:	127310173
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	4.76
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations