Geometry & MOs

Info

ID:	426180
PubChem CID:	135141968
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	536.289974
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	1.73
IP(EA), eV:	-9.71(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[3-(3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)C1=NCCCO1

DOS

IR

Vibrations