Geometry & MOs

Info

ID:	364970
PubChem CID:	127316620
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	5.83
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=NC=C3)OC4CCOCC4

DOS

IR

Vibrations