Geometry & MOs

Info

ID:	345493
PubChem CID:	127269793
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-161.59
Dipole, Da:	5.64
IP(EA), eV:	-8.83(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C)(C)CNC(=O)NC2CCCNC2=O

DOS

IR

Vibrations