Geometry & MOs

Info

ID:	128324
PubChem CID:	51039472
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-47.84
Dipole, Da:	6.17
IP(EA), eV:	-9.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-7-[2-(dimethylamino)ethylamino]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1CCCC1C2=CN=CC=C2.C1=CC=C(C=C1)CC(=O)O

DOS

IR

Vibrations