Geometry & MOs

Info

ID:	170979
PubChem CID:	75307554
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	389.199094
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	4.17
IP(EA), eV:	-8.58(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(cyclopropylmethyl)-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CCC1COCCN1C2=NC(=NC3=C2COCC3)C4=CC=C(C=C4)NC5CCCC(=O)N5

DOS

IR

Vibrations