Geometry & MOs

Info

ID:	345454
PubChem CID:	127269754
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	306.180424
ΔH_f, kcal/mol:	-22.54
Dipole, Da:	3.63
IP(EA), eV:	-9.23(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations