Geometry & MOs

Info

ID:	363215
PubChem CID:	127310355
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	6.8
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropanecarbonylamino)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC(C)(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations