Geometry & MOs

Info

ID:	369464
PubChem CID:	127333448
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	3.07
Dipole, Da:	5.91
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CN3CCCC(C3)N4CCCC4

DOS

IR

Vibrations