Geometry & MOs

Info

ID:	420584
PubChem CID:	135114093
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	421.214761
ΔH_f, kcal/mol:	18.17
Dipole, Da:	3.85
IP(EA), eV:	-8.37(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[2-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)NC2=CN(N=C2)C(C)C

DOS

IR

Vibrations