Geometry & MOs

Info

ID:	371551
PubChem CID:	127347110
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-30.27
Dipole, Da:	3.75
IP(EA), eV:	-8.33(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclohexyl)carbamoyl]-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCC(C2)CN3CCCC3

DOS

IR

Vibrations