Geometry & MOs

Info

ID:	351667
PubChem CID:	127280754
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	5.51
IP(EA), eV:	-8.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2CCC(CC2)CN3CCCC3)C

DOS

IR

Vibrations