Geometry & MOs

Info

ID:	44780
PubChem CID:	10505925
Reduced:	N2O8C27H32 (1)
Stoich.:	A2B8C27D32 (1)
Weight, g/mol:	512.303893
ΔH_f, kcal/mol:	-256.88
Dipole, Da:	4.85
IP(EA), eV:	-9.25(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-methoxy-7,7,10,10-tetramethyl-5-propyl-8,9,12,13-tetrahydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoate

Drug info:

PubChemData

Smile

CC1/C=C/C(/C(=C\CC2=C(C(=CC=C2)O)C(=O)OC(CC(=O)O1)C/C=C/NC(=O)/C=C\C=N/OC)/C)O

DOS

IR

Vibrations