Geometry & MOs

Info

ID:	423451
PubChem CID:	135119523
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	399.240959
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	3.67
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations