Geometry & MOs

Info

ID:	349237
PubChem CID:	127274963
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	52.7
Dipole, Da:	4.16
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations