Geometry & MOs

Info

ID:	422890
PubChem CID:	135118573
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	5.71
Dipole, Da:	6.64
IP(EA), eV:	-9.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CN(CC1(C2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations