Geometry & MOs

Info

ID:	363148
PubChem CID:	127310181
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	2.19
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CC2)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)OC

DOS

IR

Vibrations