Geometry & MOs

Info

ID:	152529
PubChem CID:	56311483
Reduced:	ON2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	26.44
Dipole, Da:	3.42
IP(EA), eV:	-9.09(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NCC3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations