Geometry & MOs

Info

ID:	145641
PubChem CID:	53563500
Reduced:	OSN5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	72.25
Dipole, Da:	3.54
IP(EA), eV:	-8.89(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=CC(=N2)C)NC(=O)C3=CSN=N3)C

DOS

IR

Vibrations