Geometry & MOs

Info

ID:	76283
PubChem CID:	48424726
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	3.2
IP(EA), eV:	-8.67(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC)C

DOS

IR

Vibrations