Geometry & MOs

Info

ID:	305813
PubChem CID:	124970458
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	2.84
IP(EA), eV:	-9.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CC(=O)N2CCO[C@H](C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations