Geometry & MOs

Info

ID:	174621
PubChem CID:	75794652
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	19.14
IP(EA), eV:	-7.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCCCC3)C4=CC=C(C=C4)C(C)(C)C)[O-]

DOS

IR

Vibrations