Geometry & MOs

Info

ID:	44347
PubChem CID:	10502965
Reduced:	O8C23H30 (1)
Stoich.:	A8B23C30 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-302.66
Dipole, Da:	2.86
IP(EA), eV:	-8.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@H](O1)[C@@H](COC2=CC=C(C=C2)OC)O)[C@@H](COC3=CC=C(C=C3)OC)O)C

DOS

IR

Vibrations