Geometry & MOs

Info

ID:	170942
PubChem CID:	75304265
Reduced:	N5O5C30H31 (1)
Stoich.:	A5B5C30D31 (1)
Weight, g/mol:	370.03169
ΔH_f, kcal/mol:	-141.25
Dipole, Da:	5.05
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-1-methyl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole-3a-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CN2CCC3(CC2)C(=O)N(C(=O)N3C(=O)NC(C)C(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations