Geometry & MOs

Info

ID:	349989
PubChem CID:	127276862
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	6.61
Dipole, Da:	2.45
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)piperidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCCN(CC3)C(C)C)C

DOS

IR

Vibrations