Geometry & MOs

Info

ID:	360200
PubChem CID:	127300843
Reduced:	OS2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	42.51
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations