Geometry & MOs

Info

ID:	345270
PubChem CID:	127269351
Reduced:	ClN3O4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	361.272927
ΔH_f, kcal/mol:	-152.8
Dipole, Da:	4.53
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentanecarbonylamino)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C2CCCN2C(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations