Geometry & MOs

Info

ID:	418025
PubChem CID:	135103345
Reduced:	N6C23H26 (1)
Stoich.:	A6B23C26 (1)
Weight, g/mol:	347.165207
ΔH_f, kcal/mol:	75.27
Dipole, Da:	3.05
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NC(=NC=C2)N3CCCC4(C3)CCC5=CN=C(N=C45)C)C

DOS

IR

Vibrations