Geometry & MOs

Info

ID:	363462
PubChem CID:	127311265
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	391.283492
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	4.55
IP(EA), eV:	-8.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3=CN=C(S3)C4=CSC=C4

DOS

IR

Vibrations